Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Yanchen Yu"'
Autor:
Xiaoqing Lu, Yuhua Chi, Yanchen Yu, Xuefei Ding, Lianming Zhao, Dongyuan Liu, Houyu Zhu, Wenyue Guo, Guixia Li
Publikováno v:
The Journal of Physical Chemistry C. 124:446-458
Understanding the active sites of metal/oxide catalysts is of great significance in heterogeneous catalysis. In this work, we performed periodic density functional theory calculations to study the ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bfbcbd5c706fc766c4dbeb8f8812b1c5
https://doi.org/10.1021/acs.jpcc.9b08532
https://doi.org/10.1021/acs.jpcc.9b08532
Autor:
Yanchen Yu, Sheng Guo, Pengpeng Sang, Wenyue Guo, Houyu Zhu, Lianming Zhao, Zemin Shi, Zifeng Yan, Jing Xu
Publikováno v:
International Journal of Hydrogen Energy. 42:5168-5176
Two dumbbell-shaped porous γ-graphynes were designed by substituting one-third acetylenic linkages with heteroatoms nitrogen and hydrogen named γ-GYN and γ-GYH, respectively. The calculated cohesive energies and phonon dispersion spectra indicate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::94178b298c873144b45487db44b8f873
https://doi.org/10.1016/j.ijhydene.2016.11.158
https://doi.org/10.1016/j.ijhydene.2016.11.158
Publikováno v:
Physical Chemistry Chemical Physics. 19:17449-17460
The hydrodesulfurization (HDS) of thiophene on clean and S-modified MoP(010) is investigated to understand the HDS mechanism as well as the surface sulfur (S) atom effect using periodic density functional theory (DFT). The results show that thiophene
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::83118e29f5bfb10172f84368d19d4d34
https://doi.org/10.1039/c7cp01859b
https://doi.org/10.1039/c7cp01859b
Autor:
Xiaoqing Lu, Lianming Zhao, Yunjie Liu, Yanchen Yu, Houyu Zhu, Huifang Ma, Wenyue Guo, Guixia Li
Publikováno v:
The Journal of Physical Chemistry C. 120:23009-23023
Molybdenum phosphide (MoP) has been extensively experimentally shown to possess high and surprisingly increasing hydrodesulfurization (HDS) activities during the HDS process. In order to understand the HDS mechanism, we investigate the HDS of thiophe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0b7564b0c5827cc52373b90664b5de85
https://doi.org/10.1021/acs.jpcc.6b07103
https://doi.org/10.1021/acs.jpcc.6b07103